#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d n ILE 2 N 0.00 0.38 0.21 3.17 -0.00 -1.26 -4.93 119.36 116.92 3e1d n ILE 2 Ca 0.00 -0.11 0.06 0.00 -0.00 0.00 0.00 62.75 62.70 3e1d n ILE 2 Cb 0.00 -1.52 -0.08 0.00 -0.00 0.00 0.00 39.64 38.04 3e1d n ILE 2 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 3e1d n ARG 3 N 6.38 1.44 -0.05 6.28 0.63 -1.26 -4.47 116.66 125.61 3e1d n ARG 3 Ca 0.28 -0.07 0.01 0.00 -0.92 0.00 0.00 57.85 57.16 3e1d n ARG 3 Cb 0.20 -1.19 0.04 0.00 0.45 0.00 0.00 32.46 31.96 3e1d n ARG 3 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3e1d n GLU 4 N -1.67 1.24 -3.13 -0.14 1.02 -1.26 -4.96 120.64 111.74 3e1d n GLU 4 Ca -0.01 -0.32 -0.28 0.00 -0.02 0.00 0.00 57.16 56.54 3e1d n GLU 4 Cb 0.26 -1.15 -0.02 0.00 -0.02 0.00 0.00 31.44 30.51 3e1d n GLU 4 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3e1d s GLU 5 N -1.78 3.62 0.35 3.49 -1.05 -1.26 -5.00 118.70 117.07 3e1d s GLU 5 Ca 0.06 0.07 0.09 0.00 -0.15 0.00 0.00 54.97 55.03 3e1d s GLU 5 Cb 0.03 -2.56 0.50 0.00 -0.44 0.00 0.00 34.13 31.67 3e1d s GLU 5 CO 0.04 0.08 1.14 -0.09 0.95 0.00 0.00 175.26 177.37 3e1d h ARG 6 N 1.19 0.00 -0.99 -4.83 9.65 -1.95 -3.31 114.38 114.14 3e1d h ARG 6 Ca -0.48 0.00 0.39 0.00 -1.10 0.00 0.00 59.98 58.79 3e1d h ARG 6 Cb 1.20 0.00 -0.18 0.00 -1.39 0.00 0.00 29.97 29.60 3e1d h ARG 6 CO 0.64 0.00 0.45 -0.11 2.80 0.00 0.00 179.97 183.75 3e1d n LEU 7 N -2.00 0.27 0.16 3.80 -0.00 -1.26 -2.48 117.00 115.49 3e1d n LEU 7 Ca -0.01 1.65 0.15 0.00 -0.00 0.00 0.00 56.01 57.81 3e1d n LEU 7 Cb 0.49 -0.77 0.74 0.00 -0.00 0.00 0.00 43.42 43.87 3e1d n LEU 7 CO 0.04 -1.82 1.13 -0.07 -0.00 0.00 0.00 177.39 176.68 3e1d h LEU 8 N 0.00 0.00 -1.26 -1.96 3.38 -1.95 -1.39 115.31 112.13 3e1d h LEU 8 Ca 0.80 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.77 3e1d h LEU 8 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 3e1d h LEU 8 CO -0.79 0.00 -0.07 1.17 0.09 0.00 0.00 178.44 178.84 3e1d n LYS 9 N -4.20 1.03 -0.08 1.13 3.00 -1.04 -4.87 118.16 113.14 3e1d n LYS 9 Ca 0.02 -1.04 -0.05 0.00 -0.00 0.00 0.00 58.31 57.24 3e1d n LYS 9 Cb 0.33 -1.19 -0.15 0.00 0.00 0.00 0.00 35.03 34.01 3e1d n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3e1d n VAL 10 N 0.40 1.05 -1.78 3.15 0.31 -0.52 -4.70 118.33 116.23 3e1d n VAL 10 Ca 0.06 -0.75 -0.30 0.00 -0.01 0.00 0.00 64.34 63.35 3e1d n VAL 10 Cb 0.28 -0.38 0.07 0.00 -0.91 0.00 0.00 33.84 32.90 3e1d n VAL 10 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3e1d s LEU 11 N -5.22 2.66 0.00 7.52 1.43 -1.25 -1.00 118.68 122.81 3e1d s LEU 11 Ca -0.09 1.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 3e1d s LEU 11 Cb 0.07 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 3e1d s LEU 11 CO 0.81 -1.73 0.05 0.54 0.23 0.00 0.00 176.35 176.26 3e1d n ARG 12 N -3.25 0.81 -0.98 1.70 3.00 -0.62 -4.47 116.66 112.85 3e1d n ARG 12 Ca 0.07 -1.30 -0.34 0.00 -0.01 0.00 0.00 57.85 56.27 3e1d n ARG 12 Cb 0.58 0.71 0.09 0.00 0.00 0.00 0.00 32.46 33.84 3e1d n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3e1d n ALA 13 N -2.27 -2.61 -0.53 7.54 0.00 -1.26 -4.70 120.51 116.68 3e1d n ALA 13 Ca -0.06 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.60 3e1d n ALA 13 Cb 0.23 -1.73 0.24 0.00 0.00 0.00 0.00 19.45 18.19 3e1d n ALA 13 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3e1d n PRO 14 N -0.80 -2.06 -0.02 0.00 -0.02 -1.26 -3.37 135.00 127.48 3e1d n PRO 14 Ca 0.07 -0.56 0.02 0.00 -2.02 0.00 0.00 63.50 61.00 3e1d n PRO 14 Cb 0.52 -2.16 0.03 0.00 -0.02 0.00 0.00 33.50 31.88 3e1d n PRO 14 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3e1d n HIS 15 N -4.81 0.05 -0.14 6.00 -0.00 -0.74 -4.81 115.22 110.77 3e1d n HIS 15 Ca 0.04 -0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.08 3e1d n HIS 15 Cb 0.54 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 3e1d n HIS 15 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 3e1d n VAL 16 N 0.14 0.00 -0.54 3.57 3.14 -1.26 -4.92 118.33 118.46 3e1d n VAL 16 Ca 0.03 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.12 3e1d n VAL 16 Cb 0.16 -0.07 0.23 0.00 -1.06 0.00 0.00 33.84 33.11 3e1d n VAL 16 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 3e1d n SER 17 N 0.00 -1.14 -0.04 6.55 2.88 -1.26 -4.74 113.62 115.87 3e1d n SER 17 Ca 0.00 0.01 0.13 0.00 -1.33 0.00 0.00 58.87 57.68 3e1d n SER 17 Cb 0.00 -1.32 0.55 0.00 -0.75 0.00 0.00 64.21 62.69 3e1d n SER 17 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3e1d h GLU 18 N -2.46 0.28 0.00 -1.46 4.57 -2.02 0.33 114.58 113.82 3e1d h GLU 18 Ca -0.56 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 3e1d h GLU 18 Cb 1.31 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3e1d h GLU 18 CO 0.46 0.19 0.10 1.63 -1.18 0.00 0.00 179.01 180.21 3e1d n LYS 19 N -4.46 0.05 0.16 1.92 5.02 -1.26 0.21 118.16 119.80 3e1d n LYS 19 Ca 0.09 0.49 0.13 0.00 -2.02 0.00 0.00 58.31 57.00 3e1d n LYS 19 Cb 0.40 -1.75 0.48 0.00 -0.02 0.00 0.00 35.03 34.13 3e1d n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3e1d h ALA 20 N 1.67 1.00 -1.10 7.82 0.00 -1.18 -1.78 119.26 125.69 3e1d h ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3e1d h ALA 20 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3e1d h ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.70 3e1d n SER 21 N -2.47 0.00 -0.19 0.00 2.88 0.13 -4.55 113.62 109.43 3e1d n SER 21 Ca 0.03 0.10 -0.07 0.00 -1.33 0.00 0.00 58.87 57.60 3e1d n SER 21 Cb 0.32 -0.32 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 3e1d n SER 21 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3e1d h THR 22 N 0.00 1.16 0.21 2.46 1.35 -1.46 -3.32 112.91 113.30 3e1d h THR 22 Ca 0.00 -0.33 -0.32 0.00 -0.55 0.00 0.00 66.41 65.22 3e1d h THR 22 Cb 0.00 0.39 0.02 0.00 -1.73 0.00 0.00 68.15 66.83 3e1d h THR 22 CO 0.00 0.16 -1.46 0.00 -0.25 0.00 0.00 175.52 173.96 3e1d h ALA 23 N 1.18 -0.04 -1.63 6.62 0.00 -1.56 -3.44 119.26 120.40 3e1d h ALA 23 Ca 0.20 -0.94 -0.49 0.00 0.00 0.00 0.00 54.91 53.68 3e1d h ALA 23 Cb -0.04 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3e1d h ALA 23 CO -0.04 0.75 1.52 -1.64 0.00 0.00 0.00 179.25 179.85 3e1d s MET 24 N -2.56 2.42 0.09 0.00 -1.94 -1.14 -4.75 119.30 111.42 3e1d s MET 24 Ca -0.13 1.25 0.00 0.00 -1.71 0.00 0.00 55.69 55.11 3e1d s MET 24 Cb 0.04 -4.49 0.00 0.00 2.01 0.00 0.00 34.83 32.39 3e1d s MET 24 CO 0.89 -2.93 0.00 -1.91 -0.01 0.00 0.00 175.02 171.06 3e1d n GLU 25 N 9.00 0.00 0.00 2.03 4.07 -1.26 -4.86 120.64 129.62 3e1d n GLU 25 Ca 0.31 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.41 3e1d n GLU 25 Cb 0.53 -0.28 0.00 0.00 -0.06 0.00 0.00 31.44 31.63 3e1d n GLU 25 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3e1d n LYS 26 N -3.16 2.23 -4.22 5.31 2.85 -1.26 -5.00 118.16 114.91 3e1d n LYS 26 Ca 0.00 -0.35 -0.20 0.00 -1.05 0.00 0.00 58.31 56.72 3e1d n LYS 26 Cb 0.00 -0.84 -0.08 0.00 -0.65 0.00 0.00 35.03 33.47 3e1d n LYS 26 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3e1d n SER 27 N -0.38 -0.58 -4.07 -5.58 7.64 -1.26 -4.49 113.62 104.89 3e1d n SER 27 Ca 0.01 -3.17 -0.35 0.00 1.01 0.00 0.00 58.87 56.36 3e1d n SER 27 Cb 0.03 1.62 -0.09 0.00 -1.01 0.00 0.00 64.21 64.76 3e1d n SER 27 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3e1d s ASN 28 N -3.32 5.29 -1.18 6.43 0.01 -0.77 -4.46 114.94 116.96 3e1d s ASN 28 Ca 0.38 -3.12 -0.20 0.00 -0.71 0.00 0.00 52.86 49.21 3e1d s ASN 28 Cb 0.02 -1.84 0.04 0.00 0.41 0.00 0.00 41.25 39.89 3e1d s ASN 28 CO 0.27 -0.30 1.67 0.42 -1.51 0.00 0.00 177.10 177.65 3e1d s THR 29 N -0.46 3.97 0.10 1.60 -4.23 -1.26 -1.51 115.64 113.85 3e1d s THR 29 Ca 0.20 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 3e1d s THR 29 Cb -0.17 -5.04 -0.04 0.00 1.34 0.00 0.00 72.50 68.59 3e1d s THR 29 CO -0.06 -1.86 0.16 -0.51 -0.54 0.00 0.00 174.62 171.82 3e1d s ILE 30 N 5.34 4.95 0.10 2.99 1.10 -0.64 -4.51 121.20 130.52 3e1d s ILE 30 Ca 0.53 -0.67 -0.19 0.00 -0.51 0.00 0.00 60.65 59.82 3e1d s ILE 30 Cb 0.02 -3.44 -0.07 0.00 0.15 0.00 0.00 42.46 39.12 3e1d s ILE 30 CO 0.02 0.06 0.58 0.68 -2.11 0.00 0.00 174.94 174.17 3e1d s VAL 31 N -1.54 4.74 0.27 4.00 -7.23 -1.26 -2.56 120.40 116.82 3e1d s VAL 31 Ca 0.32 1.16 0.02 0.00 -1.81 0.00 0.00 61.98 61.67 3e1d s VAL 31 Cb -0.12 -3.87 -0.04 0.00 0.56 0.00 0.00 36.38 32.90 3e1d s VAL 31 CO 0.25 0.48 0.13 -0.22 -0.31 0.00 0.00 175.10 175.43 3e1d s LEU 32 N -1.30 1.58 0.03 1.32 2.96 -0.68 -1.79 118.68 120.81 3e1d s LEU 32 Ca 0.31 -1.46 0.02 0.00 -0.22 0.00 0.00 54.13 52.79 3e1d s LEU 32 Cb -0.19 0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.63 3e1d s LEU 32 CO 0.19 -0.81 -0.07 -0.75 -1.32 0.00 0.00 176.35 173.60 3e1d s LYS 33 N -3.96 0.47 0.09 1.98 2.20 -1.22 -0.96 119.74 118.34 3e1d s LYS 33 Ca 0.37 -0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 55.28 3e1d s LYS 33 Cb 0.07 -0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 3e1d s LYS 33 CO 0.15 0.04 0.09 0.14 -0.36 0.00 0.00 175.35 175.41 3e1d s VAL 34 N -1.22 0.16 0.67 4.02 -7.23 -0.24 -1.58 120.40 114.98 3e1d s VAL 34 Ca -0.09 -1.58 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 3e1d s VAL 34 Cb -0.09 -1.58 0.12 0.00 0.56 0.00 0.00 36.38 35.39 3e1d s VAL 34 CO 0.00 -0.73 0.92 0.00 -0.31 0.00 0.00 175.10 174.98 3e1d n ALA 35 N -0.01 0.75 -0.02 1.32 0.00 -0.17 -3.79 120.51 118.58 3e1d n ALA 35 Ca -0.12 -2.09 0.12 0.00 0.00 0.00 0.00 53.44 51.35 3e1d n ALA 35 Cb 0.62 0.46 0.53 0.00 0.00 0.00 0.00 19.45 21.06 3e1d n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3e1d h LYS 36 N 0.00 0.32 -0.00 0.00 3.64 -1.89 -0.44 116.57 118.20 3e1d h LYS 36 Ca -0.31 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3e1d h LYS 36 Cb 1.27 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3e1d h LYS 36 CO 0.38 0.21 -0.00 -0.25 -2.27 0.00 0.00 179.45 177.52 3e1d n ASP 37 N -4.47 0.05 -3.82 4.20 9.92 -1.26 -4.83 116.55 116.35 3e1d n ASP 37 Ca 0.07 -0.85 -0.39 0.00 -0.53 0.00 0.00 54.79 53.09 3e1d n ASP 37 Cb 0.33 -0.05 -0.08 0.00 -0.64 0.00 0.00 41.12 40.67 3e1d n ASP 37 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3e1d n ALA 38 N -1.02 1.99 -1.66 2.24 0.00 -0.18 -4.91 120.51 116.97 3e1d n ALA 38 Ca 0.22 -2.97 -0.37 0.00 0.00 0.00 0.00 53.44 50.33 3e1d n ALA 38 Cb 0.14 -3.62 0.07 0.00 0.00 0.00 0.00 19.45 16.05 3e1d n ALA 38 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3e1d s THR 39 N 7.75 2.03 0.41 0.00 -1.32 -1.26 -4.96 115.64 118.29 3e1d s THR 39 Ca 0.65 0.02 0.09 0.00 -1.21 0.00 0.00 61.69 61.24 3e1d s THR 39 Cb 0.11 -2.94 0.23 0.00 -1.51 0.00 0.00 72.50 68.38 3e1d s THR 39 CO 0.20 -0.00 2.02 0.50 -2.21 0.00 0.00 174.62 175.13 3e1d h LYS 40 N 0.39 0.38 -1.01 7.08 3.64 -2.00 -2.29 116.57 122.76 3e1d h LYS 40 Ca -0.50 -0.04 0.23 0.00 -1.27 0.00 0.00 60.65 59.06 3e1d h LYS 40 Cb 1.33 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.96 3e1d h LYS 40 CO 0.52 0.33 0.61 0.00 -2.27 0.00 0.00 179.45 178.64 3e1d h ALA 41 N 1.73 1.82 0.00 5.00 0.00 -1.97 -1.47 119.26 124.37 3e1d h ALA 41 Ca 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3e1d h ALA 41 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3e1d h ALA 41 CO -0.01 -0.26 -0.84 0.93 0.00 0.00 0.00 179.25 179.07 3e1d h GLU 42 N 0.61 0.00 0.00 0.00 4.39 -1.76 -3.26 114.58 114.55 3e1d h GLU 42 Ca 0.62 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 60.12 3e1d h GLU 42 Cb 1.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 3e1d h GLU 42 CO -0.42 0.09 -1.09 0.97 -1.16 0.00 0.00 179.01 177.39 3e1d h ILE 43 N 0.00 1.15 0.47 3.13 2.10 -1.51 -3.38 117.51 119.47 3e1d h ILE 43 Ca -0.03 -2.77 -0.01 0.00 1.08 0.00 0.00 64.86 63.13 3e1d h ILE 43 Cb 1.13 2.53 -0.02 0.00 -1.09 0.00 0.00 36.82 39.38 3e1d h ILE 43 CO 0.01 0.65 -0.41 0.11 -1.08 0.00 0.00 178.15 177.44 3e1d h LYS 44 N 0.00 -0.85 0.00 2.19 1.57 -1.32 -3.23 116.57 114.93 3e1d h LYS 44 Ca -0.09 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3e1d h LYS 44 Cb 1.70 0.19 0.00 0.00 0.08 0.00 0.00 32.23 34.20 3e1d h LYS 44 CO 0.09 -0.56 0.00 0.00 -0.57 0.00 0.00 179.45 178.41 3e1d n ALA 45 N -2.70 2.52 -0.04 3.86 0.00 -1.25 -4.59 120.51 118.31 3e1d n ALA 45 Ca -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 3e1d n ALA 45 Cb 0.41 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 3e1d n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1d h ALA 46 N 3.42 0.00 -1.04 0.00 0.00 -1.73 -3.40 119.26 116.51 3e1d h ALA 46 Ca 0.00 -0.39 0.30 0.00 0.00 0.00 0.00 54.91 54.82 3e1d h ALA 46 Cb 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 17.96 3e1d h ALA 46 CO 0.00 0.31 0.62 0.28 0.00 0.00 0.00 179.25 180.45 3e1d h VAL 47 N -0.65 0.38 0.00 0.00 2.07 -1.81 -2.33 116.25 113.92 3e1d h VAL 47 Ca 0.00 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 3e1d h VAL 47 Cb 0.31 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3e1d h VAL 47 CO 0.00 0.07 -0.27 1.56 0.02 0.00 0.00 177.57 178.95 3e1d h GLN 48 N 0.38 0.00 -0.00 1.57 7.50 -1.70 -2.65 115.11 120.22 3e1d h GLN 48 Ca 0.70 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.85 3e1d h GLN 48 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.14 3e1d h GLN 48 CO -0.51 0.27 -0.00 0.36 -1.50 0.00 0.00 178.83 177.45 3e1d n LYS 49 N -3.39 -0.79 -0.06 1.46 2.85 -0.94 -4.31 118.16 112.96 3e1d n LYS 49 Ca 0.00 -0.52 -0.13 0.00 -1.05 0.00 0.00 58.31 56.61 3e1d n LYS 49 Cb 0.47 -1.00 -0.05 0.00 -0.65 0.00 0.00 35.03 33.80 3e1d n LYS 49 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3e1d n LEU 50 N 0.01 1.23 -0.41 -5.58 -0.00 -0.92 -4.80 117.00 106.53 3e1d n LEU 50 Ca 0.00 0.13 0.05 0.00 -0.00 0.00 0.00 56.01 56.19 3e1d n LEU 50 Cb 0.01 -0.39 0.04 0.00 -0.00 0.00 0.00 43.42 43.08 3e1d n LEU 50 CO 0.00 0.34 0.40 0.33 -0.00 0.00 0.00 177.39 178.46 3e1d n PHE 51 N -3.47 0.00 -1.09 1.96 7.35 -1.00 -5.03 117.46 116.17 3e1d n PHE 51 Ca -0.25 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.41 3e1d n PHE 51 Cb 0.69 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.51 3e1d n PHE 51 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3e1d n GLU 52 N 0.50 -1.06 -4.33 -4.13 1.02 -1.21 -5.00 120.64 106.43 3e1d n GLU 52 Ca 0.06 0.46 -0.17 0.00 -0.02 0.00 0.00 57.16 57.48 3e1d n GLU 52 Cb 0.27 -4.35 -0.10 0.00 -0.02 0.00 0.00 31.44 27.23 3e1d n GLU 52 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3e1d s VAL 53 N -1.70 0.68 -0.07 2.62 -7.23 -1.23 -4.99 120.40 108.47 3e1d s VAL 53 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 3e1d s VAL 53 Cb 0.00 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 34.33 3e1d s VAL 53 CO 0.00 -0.03 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.05 3e1d s GLU 54 N -4.00 0.74 0.22 4.82 2.12 -1.26 -2.43 118.70 118.90 3e1d s GLU 54 Ca 0.37 0.04 0.10 0.00 0.36 0.00 0.00 54.97 55.84 3e1d s GLU 54 Cb 0.08 -1.03 -0.04 0.00 0.26 0.00 0.00 34.13 33.40 3e1d s GLU 54 CO 0.13 -0.27 -0.09 0.14 -0.54 0.00 0.00 175.26 174.63 3e1d s VAL 55 N 1.82 3.14 -0.13 3.70 -7.23 -1.26 -4.34 120.40 116.10 3e1d s VAL 55 Ca 0.03 -1.83 -0.12 0.00 -1.81 0.00 0.00 61.98 58.25 3e1d s VAL 55 Cb -0.13 -2.60 -0.10 0.00 0.56 0.00 0.00 36.38 34.11 3e1d s VAL 55 CO -0.05 -0.22 0.25 -0.33 -0.31 0.00 0.00 175.10 174.45 3e1d h GLU 56 N 2.57 0.00 -3.80 4.82 4.39 -1.99 -3.50 114.58 117.07 3e1d h GLU 56 Ca -0.45 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.02 3e1d h GLU 56 Cb 1.22 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.60 3e1d h GLU 56 CO 0.56 0.41 -0.72 0.08 -1.16 0.00 0.00 179.01 178.18 3e1d s VAL 57 N -1.92 0.04 -0.05 3.13 1.01 -1.26 -5.12 120.40 116.24 3e1d s VAL 57 Ca -0.10 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3e1d s VAL 57 Cb -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.31 3e1d s VAL 57 CO 0.30 -0.06 -0.16 -0.69 0.00 0.00 0.00 175.10 174.49 3e1d s VAL 58 N -0.19 1.39 -0.02 2.92 1.01 -1.26 -3.88 120.40 120.37 3e1d s VAL 58 Ca -0.02 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3e1d s VAL 58 Cb -0.01 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3e1d s VAL 58 CO -0.00 0.41 -0.02 0.20 0.00 0.00 0.00 175.10 175.69 3e1d s ASN 59 N 0.19 5.00 0.02 3.32 -0.87 -0.37 -5.00 114.94 117.23 3e1d s ASN 59 Ca -0.07 -0.01 0.04 0.00 -1.57 0.00 0.00 52.86 51.25 3e1d s ASN 59 Cb -0.13 -1.30 -0.02 0.00 -0.02 0.00 0.00 41.25 39.79 3e1d s ASN 59 CO 0.03 0.31 -0.13 0.28 -2.57 0.00 0.00 177.10 175.02 3e1d s THR 60 N -1.00 1.01 -0.23 1.60 -1.32 -1.26 -0.74 115.64 113.68 3e1d s THR 60 Ca 0.17 -0.79 -0.03 0.00 -1.21 0.00 0.00 61.69 59.83 3e1d s THR 60 Cb -0.11 -0.89 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 3e1d s THR 60 CO 0.07 0.10 0.22 -0.76 -2.21 0.00 0.00 174.62 172.04 3e1d s LEU 61 N -0.80 -0.04 -1.08 9.08 1.02 -1.15 -5.04 118.68 120.69 3e1d s LEU 61 Ca 0.02 -0.51 -0.25 0.00 0.02 0.00 0.00 54.13 53.42 3e1d s LEU 61 Cb -0.07 0.29 -0.13 0.00 0.02 0.00 0.00 46.19 46.31 3e1d s LEU 61 CO 0.00 -0.36 2.04 -0.69 0.02 0.00 0.00 176.35 177.37 3e1d s VAL 62 N 2.30 3.32 -0.45 -1.59 1.01 -1.26 -3.41 120.40 120.32 3e1d s VAL 62 Ca 0.08 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 3e1d s VAL 62 Cb -0.15 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.12 3e1d s VAL 62 CO -0.20 -0.60 0.36 -0.69 0.00 0.00 0.00 175.10 173.97 3e1d s VAL 63 N 13.17 5.20 -0.29 2.92 1.01 -1.26 -4.97 120.40 136.18 3e1d s VAL 63 Ca 0.75 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3e1d s VAL 63 Cb -0.04 -4.05 0.42 0.00 0.00 0.00 0.00 36.38 32.71 3e1d s VAL 63 CO 0.12 -0.50 1.57 0.29 0.00 0.00 0.00 175.10 176.58 3e1d n LYS 64 N 5.18 1.83 -0.38 2.72 5.02 -1.26 -4.39 118.16 126.87 3e1d n LYS 64 Ca -0.12 -1.90 -0.03 0.00 -2.02 0.00 0.00 58.31 54.24 3e1d n LYS 64 Cb 0.45 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 3e1d n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3e1d n GLY 65 N -0.52 -0.07 3.67 0.72 0.00 -1.26 -4.92 105.19 102.81 3e1d n GLY 65 Ca 0.37 -0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.83 3e1d n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3e1d n LYS 66 N 1.55 1.13 -4.16 1.61 3.00 -1.26 -4.59 118.16 115.45 3e1d n LYS 66 Ca 0.09 0.41 -0.16 0.00 -0.00 0.00 0.00 58.31 58.65 3e1d n LYS 66 Cb 0.11 -2.08 -0.11 0.00 0.00 0.00 0.00 35.03 32.95 3e1d n LYS 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3e1d s VAL 67 N 2.50 0.97 -0.01 3.15 0.11 -0.87 -5.03 120.40 121.22 3e1d s VAL 67 Ca 0.94 -1.39 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 3e1d s VAL 67 Cb -1.04 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 3e1d s VAL 67 CO 0.59 -0.37 -0.03 -1.59 -3.33 0.00 0.00 175.10 170.38 3e1d s LYS 68 N -2.09 0.28 0.00 1.54 0.00 -1.26 -3.07 119.74 115.13 3e1d s LYS 68 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 55.97 55.87 3e1d s LYS 68 Cb -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 37.83 37.47 3e1d s LYS 68 CO 0.01 0.05 0.00 -2.13 0.00 0.00 0.00 175.35 173.28 3e1d n ARG 69 N 3.13 0.00 0.00 1.78 3.00 -0.86 -4.92 116.66 118.79 3e1d n ARG 69 Ca -0.14 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 57.86 3e1d n ARG 69 Cb 0.58 -0.06 0.85 0.00 0.00 0.00 0.00 32.46 33.83 3e1d n ARG 69 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 3e1d n HIS 70 N 0.00 0.00 0.00 -0.14 -0.00 -0.76 -4.91 115.22 109.41 3e1d n HIS 70 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3e1d n HIS 70 Cb 0.04 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 29.77 3e1d n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3e1d n GLY 71 N 1.15 1.90 3.19 1.57 0.00 -1.26 -4.90 105.19 106.85 3e1d n GLY 71 Ca 0.19 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3e1d n GLY 71 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3e1d s GLN 72 N 0.00 3.05 0.00 1.61 2.00 -1.26 -4.91 119.66 120.15 3e1d s GLN 72 Ca 0.00 -2.56 0.00 0.00 -2.00 0.00 0.00 55.36 50.80 3e1d s GLN 72 Cb 0.00 -4.04 0.00 0.00 0.80 0.00 0.00 33.01 29.77 3e1d s GLN 72 CO 0.00 -1.23 0.00 0.54 -0.50 0.00 0.00 175.29 174.10 3e1d n ARG 73 N 3.60 0.00 -4.22 1.67 5.12 -1.26 -4.87 116.66 116.70 3e1d n ARG 73 Ca 0.11 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.78 3e1d n ARG 73 Cb 0.41 -1.77 -0.08 0.00 -1.16 0.00 0.00 32.46 29.86 3e1d n ARG 73 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3e1d s ILE 74 N 0.00 2.41 0.00 0.55 -4.36 -1.26 -4.84 121.20 113.71 3e1d s ILE 74 Ca 0.00 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 3e1d s ILE 74 Cb 0.00 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.76 3e1d s ILE 74 CO 0.00 -0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.73 3e1d n GLY 75 N -1.14 -0.75 3.48 6.27 0.00 -1.25 -1.83 105.19 109.98 3e1d n GLY 75 Ca -0.02 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3e1d n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e1d s ARG 76 N -0.40 1.68 0.00 1.61 0.52 -1.17 -4.97 118.95 116.22 3e1d s ARG 76 Ca 0.00 -1.87 0.00 0.00 -0.52 0.00 0.00 55.73 53.34 3e1d s ARG 76 Cb 0.00 -1.36 0.00 0.00 0.52 0.00 0.00 34.95 34.11 3e1d s ARG 76 CO 0.00 0.05 0.00 -2.13 0.02 0.00 0.00 175.30 173.24 3e1d n ARG 77 N -0.69 1.85 -1.26 3.54 0.63 -1.26 -2.06 116.66 117.42 3e1d n ARG 77 Ca -0.05 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.05 3e1d n ARG 77 Cb 0.64 -0.84 -0.04 0.00 0.45 0.00 0.00 32.46 32.66 3e1d n ARG 77 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3e1d n SER 78 N -1.26 -7.45 0.08 6.15 2.88 -1.26 -4.49 113.62 108.27 3e1d n SER 78 Ca 0.00 0.50 -0.09 0.00 -1.33 0.00 0.00 58.87 57.95 3e1d n SER 78 Cb 0.00 -3.80 -0.03 0.00 -0.75 0.00 0.00 64.21 59.63 3e1d n SER 78 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3e1d h ASP 79 N -1.16 0.24 0.00 -3.46 3.04 -1.96 -3.48 116.42 109.64 3e1d h ASP 79 Ca 0.03 -0.21 0.00 0.00 -3.24 0.00 0.00 57.03 53.61 3e1d h ASP 79 Cb 1.15 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.36 3e1d h ASP 79 CO 0.01 1.04 0.00 1.87 -2.04 0.00 0.00 179.24 180.12 3e1d n TRP 80 N -3.61 0.00 -0.47 4.15 -0.00 -1.26 -4.80 117.44 111.44 3e1d n TRP 80 Ca -0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.26 3e1d n TRP 80 Cb 0.84 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 32.12 3e1d n TRP 80 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 3e1d n LYS 81 N 0.00 0.00 -1.64 5.87 4.81 -1.25 -4.62 118.16 121.33 3e1d n LYS 81 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 3e1d n LYS 81 Cb 0.00 -0.49 0.06 0.00 0.02 0.00 0.00 35.03 34.62 3e1d n LYS 81 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3e1d s LYS 82 N 1.58 2.72 0.15 1.64 2.20 -1.22 -1.08 119.74 125.74 3e1d s LYS 82 Ca 0.37 1.27 0.03 0.00 -0.36 0.00 0.00 55.97 57.29 3e1d s LYS 82 Cb -0.49 -1.95 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 3e1d s LYS 82 CO 0.23 -1.29 -0.06 0.00 -0.36 0.00 0.00 175.35 173.87 3e1d s ALA 83 N -2.56 1.39 -0.01 3.13 0.00 -0.13 -2.92 121.76 120.65 3e1d s ALA 83 Ca 0.64 -1.52 0.07 0.00 0.00 0.00 0.00 51.96 51.15 3e1d s ALA 83 Cb -0.18 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 3e1d s ALA 83 CO 0.46 -0.19 -0.23 0.71 0.00 0.00 0.00 175.76 176.51 3e1d s TYR 84 N -3.46 2.41 0.29 0.00 1.51 0.08 -1.69 117.35 116.49 3e1d s TYR 84 Ca 0.19 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.93 3e1d s TYR 84 Cb 0.04 -1.50 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 3e1d s TYR 84 CO 0.01 0.05 0.23 0.14 -1.11 0.00 0.00 175.55 174.88 3e1d s VAL 85 N -0.69 0.02 -0.42 0.71 -7.23 -1.06 -1.24 120.40 110.48 3e1d s VAL 85 Ca 0.11 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 3e1d s VAL 85 Cb -0.10 -2.50 0.19 0.00 0.56 0.00 0.00 36.38 34.53 3e1d s VAL 85 CO 0.00 0.00 0.39 0.35 -0.31 0.00 0.00 175.10 175.54 3e1d n THR 86 N -0.52 -0.94 0.25 5.32 -2.24 -1.25 -1.62 114.28 113.27 3e1d n THR 86 Ca 0.06 -3.64 0.00 0.00 -2.27 0.00 0.00 64.05 58.19 3e1d n THR 86 Cb 0.63 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 3e1d n THR 86 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3e1d n LEU 87 N 2.44 0.30 0.00 3.22 -0.00 -0.57 -3.50 117.00 118.89 3e1d n LEU 87 Ca 0.27 -0.15 0.01 0.00 -0.00 0.00 0.00 56.01 56.15 3e1d n LEU 87 Cb 0.49 -0.12 -0.00 0.00 -0.00 0.00 0.00 43.42 43.78 3e1d n LEU 87 CO 0.12 0.07 -0.02 0.29 -0.00 0.00 0.00 177.39 177.85 3e1d n LYS 88 N 0.43 -0.17 0.42 1.96 5.02 -1.26 -4.58 118.16 119.98 3e1d n LYS 88 Ca 0.00 0.11 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 3e1d n LYS 88 Cb 0.07 -0.21 -0.08 0.00 -0.02 0.00 0.00 35.03 34.79 3e1d n LYS 88 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3e1d h GLU 89 N 0.00 -1.05 0.00 1.97 3.07 -1.92 -2.04 114.58 114.61 3e1d h GLU 89 Ca 0.00 0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3e1d h GLU 89 Cb 0.08 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3e1d h GLU 89 CO 0.00 -0.70 0.00 0.41 -1.40 0.00 0.00 179.01 177.32 3e1d n GLY 90 N -1.13 0.58 0.03 -3.84 0.00 -1.26 -4.34 105.19 95.23 3e1d n GLY 90 Ca -0.14 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.04 3e1d n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1d n GLN 91 N -0.82 0.94 0.00 1.61 10.64 -1.26 -4.95 117.38 123.53 3e1d n GLN 91 Ca 0.00 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 3e1d n GLN 91 Cb 0.00 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 27.88 3e1d n GLN 91 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3e1d n ASN 92 N -0.98 0.00 -0.58 2.61 4.13 -1.26 -3.14 115.26 116.03 3e1d n ASN 92 Ca 0.22 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.52 3e1d n ASN 92 Cb 0.15 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.45 3e1d n ASN 92 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3e1d n LEU 93 N 0.00 1.12 0.00 3.41 4.77 -1.26 -5.01 117.00 120.03 3e1d n LEU 93 Ca 0.00 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 3e1d n LEU 93 Cb 0.00 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3e1d n LEU 93 CO 0.00 0.55 0.27 0.47 -1.33 0.00 0.00 177.39 177.35 3e1d n ASP 94 N -0.42 0.00 0.00 -1.43 9.92 -1.19 -2.57 116.55 120.87 3e1d n ASP 94 Ca 0.08 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 3e1d n ASP 94 Cb 0.77 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 3e1d n ASP 94 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3e1d n PHE 95 N -0.98 0.00 -3.72 1.24 7.35 -1.26 -5.14 117.46 114.95 3e1d n PHE 95 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 3e1d n PHE 95 Cb 0.07 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.82 3e1d n PHE 95 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3e1d s VAL 96 N -1.57 0.06 -0.26 -2.13 0.11 -1.06 -5.16 120.40 110.39 3e1d s VAL 96 Ca 0.00 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 3e1d s VAL 96 Cb 0.00 -0.85 0.07 0.00 -1.53 0.00 0.00 36.38 34.07 3e1d s VAL 96 CO 0.00 -0.29 0.01 -0.83 -3.33 0.00 0.00 175.10 170.66 3e1d s GLY 97 N -1.79 1.26 0.00 6.54 0.00 -1.26 -4.80 107.32 107.27 3e1d s GLY 97 Ca -0.08 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.13 3e1d s GLY 97 CO -0.00 1.14 0.16 0.61 0.00 0.00 0.00 173.10 175.01 3e1d n GLY 98 N 4.70 0.24 0.00 0.20 0.00 -1.26 -5.21 105.19 103.86 3e1d n GLY 98 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3e1d n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32